[(4R,6S)-6-methoxy-3,3-dimethylhept-1-en-4-yl]oxy-trimethylsilane

C13H28O2Si — CID 15503121

IUPAC[(4R,6S)-6-methoxy-3,3-dimethylhept-1-en-4-yl]oxy-trimethylsilane
SMILESC=CC(C)(C)[C@@H](C[C@H](C)OC)O[Si](C)(C)C
InChIInChI=1S/C13H28O2Si/c1-9-13(3,4)12(10-11(2)14-5)15-16(6,7)8/h9,11-12H,1,10H2,2-8H3/t11-,12+/m0/s1
InChIKeyCBPQLBPLAQHVCV-NWDGAFQWSA-N
MW244.45 g/mol
LogP3.84
Rot. Bonds7

About [(4R,6S)-6-methoxy-3,3-dimethylhept-1-en-4-yl]oxy-trimethylsilane

[(4R,6S)-6-methoxy-3,3-dimethylhept-1-en-4-yl]oxy-trimethylsilane (PubChem CID 15503121) has the molecular formula C13H28O2Si and a molecular weight of 244.45 g/mol. Its IUPAC name is [(4R,6S)-6-methoxy-3,3-dimethylhept-1-en-4-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(4R,6S)-6-methoxy-3,3-dimethylhept-1-en-4-yl]oxy-trimethylsilane
PubChem CID15503121
Molecular FormulaC13H28O2Si
Molecular Weight244.45 g/mol
Exact Mass244.19
IUPAC Name[(4R,6S)-6-methoxy-3,3-dimethylhept-1-en-4-yl]oxy-trimethylsilane
SMILESC=CC(C)(C)[C@@H](C[C@H](C)OC)O[Si](C)(C)C
InChIInChI=1S/C13H28O2Si/c1-9-13(3,4)12(10-11(2)14-5)15-16(6,7)8/h9,11-12H,1,10H2,2-8H3/t11-,12+/m0/s1
InChIKeyCBPQLBPLAQHVCV-NWDGAFQWSA-N
XLogP3.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

trimethyl-[(2R,4R)-4-trimethylsilyloxypentan-2-yl]oxysilane
CID 11139503
tert-butyl (3R,5R,7S)-7-[tert-butyl(dimethyl)silyl]oxy-3,5-dihydroxy-8,8-dimethyldec-9-enoate
CID 10993437
5-methoxyhex-1-en-3-ylhydrazine
CID 105266950
4,4-dimethylpent-1-en-3-yloxy(trimethyl)silane
CID 13307468
(3-methoxy-4,4-dimethylhex-5-enyl)benzene
CID 13449105
7,7-dimethylnon-8-en-1-yn-4-yloxy(trimethyl)silane
CID 57216483
(2R)-2,3,3-trimethylpent-4-enenitrile
CID 163689292
ethane;3,3,4-trimethylhepta-1,6-diene
CID 142059658
(2R,4S)-4-methoxypentan-2-ol
CID 59003340
dec-9-en-2-yloxy(trimethyl)silane
CID 11096389
(1-methoxy-2-methylpropoxy)-trimethylsilane
CID 157082350
tert-butyl (5S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-8,8-dimethyl-3-oxo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-9-enoate
CID 10875059

Frequently Asked Questions

What is the IUPAC name of [(4R,6S)-6-methoxy-3,3-dimethylhept-1-en-4-yl]oxy-trimethylsilane?
The IUPAC name of [(4R,6S)-6-methoxy-3,3-dimethylhept-1-en-4-yl]oxy-trimethylsilane (CID 15503121) is [(4R,6S)-6-methoxy-3,3-dimethylhept-1-en-4-yl]oxy-trimethylsilane.
What is the SMILES notation for [(4R,6S)-6-methoxy-3,3-dimethylhept-1-en-4-yl]oxy-trimethylsilane?
The canonical SMILES for [(4R,6S)-6-methoxy-3,3-dimethylhept-1-en-4-yl]oxy-trimethylsilane is C=CC(C)(C)[C@@H](C[C@H](C)OC)O[Si](C)(C)C.
What is the InChIKey of [(4R,6S)-6-methoxy-3,3-dimethylhept-1-en-4-yl]oxy-trimethylsilane?
The InChIKey is CBPQLBPLAQHVCV-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H28O2Si/c1-9-13(3,4)12(10-11(2)14-5)15-16(6,7)8/h9,11-12H,1,10H2,2-8H3/t11-,12+/m0/s1.
What are the key properties of [(4R,6S)-6-methoxy-3,3-dimethylhept-1-en-4-yl]oxy-trimethylsilane?
[(4R,6S)-6-methoxy-3,3-dimethylhept-1-en-4-yl]oxy-trimethylsilane has a molecular weight of 244.45 g/mol, XLogP of 3.84, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,6S)-6-methoxy-3,3-dimethylhept-1-en-4-yl]oxy-trimethylsilane is sourced from PubChem (CID 15503121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).